3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile

C14H12FN3 — CID 172990840

IUPAC3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(-c2cnn(C3CCC3)c2)c1
InChIInChI=1S/C14H12FN3/c15-13-5-10(7-16)4-11(6-13)12-8-17-18(9-12)14-2-1-3-14/h4-6,8-9,14H,1-3H2
InChIKeyNVFOCXSAOPEQTA-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.29
Rot. Bonds2

About 3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile

3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile (PubChem CID 172990840) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile
PubChem CID172990840
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(-c2cnn(C3CCC3)c2)c1
InChIInChI=1S/C14H12FN3/c15-13-5-10(7-16)4-11(6-13)12-8-17-18(9-12)14-2-1-3-14/h4-6,8-9,14H,1-3H2
InChIKeyNVFOCXSAOPEQTA-UHFFFAOYSA-N
XLogP3.29
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-cyclopentylpyrazol-4-yl)-5-fluorobenzonitrile
CID 172990846
3-(1-cyclopentylpyrazol-4-yl)-5-methylbenzonitrile
CID 172989940
3-chloro-5-(1-cyclopropylpyrazol-4-yl)benzonitrile
CID 172990998
3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile
CID 172990845
1-cyclobutylpyrazole-4-carbonitrile
CID 105429045
3-bromo-5-[1-(oxan-4-yl)pyrazol-4-yl]benzonitrile
CID 172990882
3-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)benzonitrile
CID 172990004
2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile
CID 172989778
[3-(1-cyclopropylpyrazol-4-yl)-5-fluorophenyl]methanamine
CID 139327240
3-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzonitrile
CID 170765694
3-chloro-5-[1-(oxan-2-yl)pyrazol-4-yl]benzonitrile
CID 172991022
3-fluoro-5-(1-pentylpyrazol-4-yl)benzonitrile
CID 172990844

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile?
The IUPAC name of 3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile (CID 172990840) is 3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile.
What is the SMILES notation for 3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile?
The canonical SMILES for 3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile is N#Cc1cc(F)cc(-c2cnn(C3CCC3)c2)c1.
What is the InChIKey of 3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile?
The InChIKey is NVFOCXSAOPEQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c15-13-5-10(7-16)4-11(6-13)12-8-17-18(9-12)14-2-1-3-14/h4-6,8-9,14H,1-3H2.
What are the key properties of 3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile?
3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile has a molecular weight of 241.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclobutylpyrazol-4-yl)-5-fluorobenzonitrile is sourced from PubChem (CID 172990840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).